N-methyl-1-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanamine

C14H23N3O2S — CID 63004193

IUPACN-methyl-1-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanamine
SMILESCNCc1ccccc1CN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H23N3O2S/c1-15-11-13-5-3-4-6-14(13)12-16-7-9-17(10-8-16)20(2,18)19/h3-6,15H,7-12H2,1-2H3
InChIKeyJTCKASCLPDYMQN-UHFFFAOYSA-N
MW297.42 g/mol
LogP0.48
Rot. Bonds5

About N-methyl-1-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanamine

N-methyl-1-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanamine (PubChem CID 63004193) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-methyl-1-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanamine
PubChem CID63004193
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-methyl-1-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanamine
SMILESCNCc1ccccc1CN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H23N3O2S/c1-15-11-13-5-3-4-6-14(13)12-16-7-9-17(10-8-16)20(2,18)19/h3-6,15H,7-12H2,1-2H3
InChIKeyJTCKASCLPDYMQN-UHFFFAOYSA-N
XLogP0.48
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]thiophen-2-yl]methanamine
CID 80728900
[2-fluoro-3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanamine
CID 107113381
1-[2-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 62774841
N-methyl-2-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]ethanamine
CID 105347634
3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-indole
CID 878346
[3-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine
CID 55133508
1-[2-(3-azaspiro[5.5]undecan-3-ylmethyl)phenyl]-N-methylmethanamine
CID 62931505
N-[(2-chlorophenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 26567609
1-ethylsulfonyl-4-[(2-methylphenyl)methyl]piperazine
CID 770603
5-methoxy-2-[(4-methylsulfonylpiperazin-1-yl)methyl]phenol
CID 82979792
N-[(2-chlorophenyl)methyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43924169
N-[[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
CID 106906497

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanamine?
The IUPAC name of N-methyl-1-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanamine (CID 63004193) is N-methyl-1-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for N-methyl-1-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanamine is CNCc1ccccc1CN1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-methyl-1-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanamine?
The InChIKey is JTCKASCLPDYMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-15-11-13-5-3-4-6-14(13)12-16-7-9-17(10-8-16)20(2,18)19/h3-6,15H,7-12H2,1-2H3.
What are the key properties of N-methyl-1-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanamine?
N-methyl-1-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanamine has a molecular weight of 297.42 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 63004193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).